SCHEMBL9534173

SCHEMBL9534173

Cn1nc(-c2cc(OCC(=O)O)c(Cl)cc2F)c(Cl)c1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.39
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGDR Q13258 3/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9533882 0.90 PTGDR2 (0.38) PTGDR2TDP1TSHRCYP2C19PTGDR
SCHEMBL9530862 0.87 PPOX (0.35) TSHRALDH1A1
SCHEMBL9696178 0.84 KIT (0.37) ALDH1A1HPGDHTT
SCHEMBL9696367 0.84 KDM4E (0.31) KDM4E
SCHEMBL9530563 0.83 PTGS2 (0.39) TSHRPKMKDM4EALDH1A1HPGD
SCHEMBL8356733 0.83 PGK1 (0.35)
SCHEMBL6909703 0.83 PKM (0.44) PTGDR2TDP1TSHRCYP2C19PKM
SCHEMBL9529358 0.82 KDM4E (0.35) PTGDR2TSHRKDM4EALDH1A1HPGD
SCHEMBL27505317 0.82 TDP1 (0.37) PTGDR2TDP1TSHRCYP2C19PTGDR
SCHEMBL38952 0.80 TDP1 (0.36) PTGDR2TDP1TSHRCYP2C19PTGDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP claimed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO claimed
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed